5,5-dimethyl-2-(2-methyl-1-phenylsulfanyl-propyl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-(2-methyl-1-phenylsulfanyl-propyl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5,5-dimethyl-2-(2-methyl-1-phenylsulfanyl-propyl)cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-[2-methyl-1-(phenylthio)propyl]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-(2-methyl-1-phenylsulfanylpropyl)cyclohex-2-en-1-one Traditional Name: 3-hydroxy-5,5-dimethyl-2-[2-methyl-1-(phenylthio)propyl]cyclohex-2-en-1-one Formula: C18H24O2S MolecularWeight: 304.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C(CC(CC1=O)(C)C)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C1=C(CC(CC1=O)(C)C)O)SC2=CC=CC=C2

InChI

InChI=1S/C18H24O2S/c1-12(2)17(21-13-8-6-5-7-9-13)16-14(19)10-18(3,4)11-15(16)20/h5-9,12,17,19H,10-11H2,1-4H3